[Wien] NO ENERGY LIMIT ...
akram hashim
shahad246 at yahoo.com
Fri Jan 16 18:19:35 CET 2004
Dear Sir
I'm trying to make self consistency for PdH with the
option LAPW (in the case.in1 , 0) but always there is
error massege " NO ENERGY LIMIT FOUND ....) so i tried
to follow what is written in the page "trouble shoting
" but with out any use , and I tried to change the
energy ranges in the case.in1 but also i couldn't.
Please what to do? note that the case.inst file that
is created by instgen puts one electron in s shell and
I have put the ten Pd electrons in d shell.
Thank you
YOURS
Akram Albayrakdar
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